Structure database (LMSD)

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LM IDLMFA07010020
Common NamePalmityl palmitoleate
Systematic Namehexadecanyl 9Z-hexadecenoate
SynonymsWE(16:0/16:1(9Z)); hexadecyl 9Z-hexadecenoate
Exact Mass
478.4750 (neutral)    Calculate m/z:
FormulaC32H62O2
CategoryFatty Acyls [FA]
Main ClassFatty esters [FA07]
Sub ClassWax monoesters [FA0701]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID5363258
SWISSLIPIDS IDSLM:000389276
InChIKeyYEHRXIRYXGNEDS-PEZBUJJGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C32H62O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-32(33)30-28-26-
24-22-20-18-16-14-12-10-8-6-4-2/h14,16H,3-13,15,17-31H2,1-2H3/b16-14-
SMILESO=C(CCCCCCC/C=C\CCCCCC)OCCCCCCCCCCCCCCCC
StatusActive
ReferencesComprehensive analysis of the major lipid classes in sebum
by rapid resolution high-performance liquid chromatography
and electrospray mass spectrometry
Emanuela Camera, Matteo Ludovici, Marisa Galante, Jo-Linda Sinagra, and Mauro Picardo
J. Lipid Res. 2010 51:(11) 3377-3388
Calculated physicochemical properties (?):
 Heavy Atoms34Rings0Aromatic Rings0Rotatable Bonds29
 van der Waals
Molecular Volume
574.46Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP11.55Molar
Refractivity
151.98